CID 57421189

Sodium cyclobutanesulfinate

Structural Information

Molecular Formula
C4H8O2S
SMILES
C1CC(C1)S(=O)O
InChI
InChI=1S/C4H8O2S/c5-7(6)4-2-1-3-4/h4H,1-3H2,(H,5,6)
InChIKey
WINLKCZFDQUZHI-UHFFFAOYSA-N
Compound name
cyclobutanesulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

120.0245 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.03178 117.4
[M+Na]+ 143.01372 122.3
[M+NH4]+ 138.05832 122.1
[M+K]+ 158.98766 118.7
[M-H]- 119.01722 115.1
[M+Na-2H]- 140.99917 118.9
[M]+ 120.02395 116.4
[M]- 120.02505 116.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe